SCHEMBL84809

SCHEMBL84809

CCCC(=O)NCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CYP2D6 P10635 3/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
CASP2 P42575 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL84807 0.98 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL13462681 0.89 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL20900504 0.88 KDM4E (0.57) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL13661579 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL8408995 0.87 HDAC2 (0.49) ALDH1A1KDM4ETSHRCYP2C19NPC1
SCHEMBL21998654 0.86 KDM4E (0.59) ALDH1A1KDM4EMAPTCASP2
SCHEMBL21998652 0.86 KDM4E (0.59) ALDH1A1KDM4EMAPTCASP2
SCHEMBL21998915 0.86 KDM4E (0.59) ALDH1A1KDM4EMAPTCASP2
SCHEMBL21998674 0.85 KDM4E (0.62) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL8587735 0.85 KDM4E (0.62) ALDH1A1KDM4EMAPTCA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO claimed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-8933077-B2 Glucokinase activators ARRAY BIOPHARMA INC. (US) 2015-01-13 US disclosed
US-8557810-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2013-10-15 US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2012-05-24 US disclosed
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US disclosed
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2010-11-25 US disclosed
US-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 US disclosed
US-20100056530-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-03-04 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 ALDH1A1 3704/4885KDM4E 4443/4885MAPT 1188/4885
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 ALDH1A1 3615/4885KDM4E 4486/4885MAPT 1392/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 ALDH1A1 3704/4885KDM4E 4443/4885MAPT 1188/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK ALDH1A1 3405/4885KDM4E 1585/4885MAPT 1520/4885
US-20100056530-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 ALDH1A1 1377/4885KDM4E 2723/4885MAPT 4558/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 ALDH1A1 1205/4885KDM4E 2172/4885MAPT 3549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.